methyl 2,4-dimethyl-5-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2,4-dimethyl-5-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 2,4-dimethyl-5-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[1-oxo-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]propyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[2-[(4-phenyl-1,2,4-triazol-3-yl)thio]propanoyl]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)SC2=NN=CN2C3=CC=CC=C3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)SC2=NN=CN2C3=CC=CC=C3

InChI

InChI=1S/C19H20N4O3S/c1-11-15(18(25)26-4)12(2)21-16(11)17(24)13(3)27-19-22-20-10-23(19)14-8-6-5-7-9-14/h5-10,13,21H,1-4H3